N-[4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-4-oxidanylidene-butyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-4-oxidanylidene-butyl]adamantane-1-carboxamide Openeye Name: N-[4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-4-oxo-butyl]adamantane-1-carboxamide CAS Name: N-[4-[(2S)-2-(1H-benzimidazol-2-yl)-1-pyrrolidinyl]-4-oxobutyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-4-oxobutyl]adamantane-1-carboxamide Traditional Name: N-[4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidino]-4-keto-butyl]adamantane-1-carboxamide Formula: C26H34N4O2 MolecularWeight: 434.57376

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCCNC(=O)C23CC4CC(C2)CC(C4)C3)C5=NC6=CC=CC=C6N5

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CCCNC(=O)C23CC4CC(C2)CC(C4)C3)C5=NC6=CC=CC=C6N5

InChI

InChI=1S/C26H34N4O2/c31-23(30-10-4-7-22(30)24-28-20-5-1-2-6-21(20)29-24)8-3-9-27-25(32)26-14-17-11-18(15-26)13-19(12-17)16-26/h1-2,5-6,17-19,22H,3-4,7-16H2,(H,27,32)(H,28,29)/t17?,18?,19?,22-,26?/m0/s1